4-methoxy-3-(3-methoxyphenyl)-N-[3-methyl-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide

C34H36N2O4 — CID 118063092

IUPAC4-methoxy-3-(3-methoxyphenyl)-N-[3-methyl-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)c(C)c3)ccc2OC)c1
InChIInChI=1S/C34H36N2O4/c1-23-20-27(11-14-31(23)24-8-12-28(13-9-24)40-29-16-18-36(2)19-17-29)35-34(37)26-10-15-33(39-4)32(22-26)25-6-5-7-30(21-25)38-3/h5-15,20-22,29H,16-19H2,1-4H3,(H,35,37)
InChIKeyWWJIOAPWLJEIBL-UHFFFAOYSA-N
MW536.67 g/mol
LogP7.07
Rot. Bonds8

About 4-methoxy-3-(3-methoxyphenyl)-N-[3-methyl-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide

4-methoxy-3-(3-methoxyphenyl)-N-[3-methyl-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (PubChem CID 118063092) has the molecular formula C34H36N2O4 and a molecular weight of 536.67 g/mol. Its IUPAC name is 4-methoxy-3-(3-methoxyphenyl)-N-[3-methyl-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(3-methoxyphenyl)-N-[3-methyl-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
PubChem CID118063092
Molecular FormulaC34H36N2O4
Molecular Weight536.67 g/mol
Exact Mass536.27
IUPAC Name4-methoxy-3-(3-methoxyphenyl)-N-[3-methyl-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)c(C)c3)ccc2OC)c1
InChIInChI=1S/C34H36N2O4/c1-23-20-27(11-14-31(23)24-8-12-28(13-9-24)40-29-16-18-36(2)19-17-29)35-34(37)26-10-15-33(39-4)32(22-26)25-6-5-7-30(21-25)38-3/h5-15,20-22,29H,16-19H2,1-4H3,(H,35,37)
InChIKeyWWJIOAPWLJEIBL-UHFFFAOYSA-N
XLogP7.07
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methoxyphenyl)-N-[3-methyl-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The IUPAC name of 4-methoxy-3-(3-methoxyphenyl)-N-[3-methyl-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (CID 118063092) is 4-methoxy-3-(3-methoxyphenyl)-N-[3-methyl-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-3-(3-methoxyphenyl)-N-[3-methyl-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-3-(3-methoxyphenyl)-N-[3-methyl-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)c(C)c3)ccc2OC)c1.
What is the InChIKey of 4-methoxy-3-(3-methoxyphenyl)-N-[3-methyl-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The InChIKey is WWJIOAPWLJEIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O4/c1-23-20-27(11-14-31(23)24-8-12-28(13-9-24)40-29-16-18-36(2)19-17-29)35-34(37)26-10-15-33(39-4)32(22-26)25-6-5-7-30(21-25)38-3/h5-15,20-22,29H,16-19H2,1-4H3,(H,35,37).
What are the key properties of 4-methoxy-3-(3-methoxyphenyl)-N-[3-methyl-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
4-methoxy-3-(3-methoxyphenyl)-N-[3-methyl-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide has a molecular weight of 536.67 g/mol, XLogP of 7.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methoxyphenyl)-N-[3-methyl-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is sourced from PubChem (CID 118063092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).